(1Z,3Z)-cycloocta-1,3-dien-6-yne

C8H8 — CID 5463539

IUPAC(1Z,3Z)-cycloocta-1,3-dien-6-yne
SMILESC1#CC/C=C\C=C/C1
InChIInChI=1S/C8H8/c1-2-4-6-8-7-5-3-1/h1-4H,5-6H2/b3-1-,4-2-
InChIKeyPEFIIRKWNLOKCY-CCAGOZQPSA-N
MW104.15 g/mol
LogP1.90
Rot. Bonds

About (1Z,3Z)-cycloocta-1,3-dien-6-yne

(1Z,3Z)-cycloocta-1,3-dien-6-yne (PubChem CID 5463539) has the molecular formula C8H8 and a molecular weight of 104.15 g/mol. Its IUPAC name is (1Z,3Z)-cycloocta-1,3-dien-6-yne.

Molecular Properties

Compound Name(1Z,3Z)-cycloocta-1,3-dien-6-yne
PubChem CID5463539
Molecular FormulaC8H8
Molecular Weight104.15 g/mol
Exact Mass104.06
IUPAC Name(1Z,3Z)-cycloocta-1,3-dien-6-yne
SMILESC1#CC/C=C\C=C/C1
InChIInChI=1S/C8H8/c1-2-4-6-8-7-5-3-1/h1-4H,5-6H2/b3-1-,4-2-
InChIKeyPEFIIRKWNLOKCY-CCAGOZQPSA-N
XLogP1.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-cycloocta-1,3-dien-6-yne?
The IUPAC name of (1Z,3Z)-cycloocta-1,3-dien-6-yne (CID 5463539) is (1Z,3Z)-cycloocta-1,3-dien-6-yne.
What is the SMILES notation for (1Z,3Z)-cycloocta-1,3-dien-6-yne?
The canonical SMILES for (1Z,3Z)-cycloocta-1,3-dien-6-yne is C1#CC/C=C\C=C/C1.
What is the InChIKey of (1Z,3Z)-cycloocta-1,3-dien-6-yne?
The InChIKey is PEFIIRKWNLOKCY-CCAGOZQPSA-N. The full InChI is InChI=1S/C8H8/c1-2-4-6-8-7-5-3-1/h1-4H,5-6H2/b3-1-,4-2-.
What are the key properties of (1Z,3Z)-cycloocta-1,3-dien-6-yne?
(1Z,3Z)-cycloocta-1,3-dien-6-yne has a molecular weight of 104.15 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-cycloocta-1,3-dien-6-yne is sourced from PubChem (CID 5463539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).